(4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole

C14H16F3NO — CID 143728738

IUPAC(4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole
SMILESCCCC1=N[C@](C)(c2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C14H16F3NO/c1-3-5-12-18-13(2,9-19-12)10-6-4-7-11(8-10)14(15,16)17/h4,6-8H,3,5,9H2,1-2H3/t13-/m0/s1
InChIKeyUEURWRIJGGHISQ-ZDUSSCGKSA-N
MW271.28 g/mol
LogP4.15
Rot. Bonds3

About (4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole

(4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole (PubChem CID 143728738) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole
PubChem CID143728738
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole
SMILESCCCC1=N[C@](C)(c2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C14H16F3NO/c1-3-5-12-18-13(2,9-19-12)10-6-4-7-11(8-10)14(15,16)17/h4,6-8H,3,5,9H2,1-2H3/t13-/m0/s1
InChIKeyUEURWRIJGGHISQ-ZDUSSCGKSA-N
XLogP4.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine
CID 24966827
2-(o-Fluorophenyl)-2-methoxymethylindole
CID 129797841
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
4-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 154720158
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847
(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 15619834
2,4-dimethyl-4-phenyl-5H-1,3-oxazole
CID 70189853
(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 102475498
4-(4-Tert-butylphenyl)-2-(1,3-difluoro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 15334503
3-(3-(Trifluoromethyl)phenyl)oxetan-3-amine
CID 56604187
(4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine
CID 59323626

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole?
The IUPAC name of (4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole (CID 143728738) is (4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole.
What is the SMILES notation for (4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole?
The canonical SMILES for (4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole is CCCC1=N[C@](C)(c2cccc(C(F)(F)F)c2)CO1.
What is the InChIKey of (4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole?
The InChIKey is UEURWRIJGGHISQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-3-5-12-18-13(2,9-19-12)10-6-4-7-11(8-10)14(15,16)17/h4,6-8H,3,5,9H2,1-2H3/t13-/m0/s1.
What are the key properties of (4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole?
(4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole has a molecular weight of 271.28 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazole is sourced from PubChem (CID 143728738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).